Rosetta
2019.07
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Functions | |
def | restrict_non_nbrs_from_repacking |
def | mutate_residue |
def pyrosetta.toolbox.mutants.mutate_residue | ( | pack_or_pose, | |
mutant_position, | |||
mutant_aa, | |||
pack_radius = 0. , |
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pack_scorefxn = None |
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) |
Replace the residue at a single position in a Pose with a new amino acid and repack any residues within user-defined radius of selected residue's center using. Args: pack_or_pose (pyrosetta.rosetta.core.pose.Pose OR pyrosetta.distributed.packed_pose.PackedPose): the `Pose` instance to use. mutant_position (int): Pose-numbered position of the residue to mutate. mutant_aa (str): The single letter name for the desired amino acid. pack_radius (float): Radius used to define neighboring residues. pack_scorefxn (pyrosetta.ScoreFunction): `ScoreFunction` to use when repacking the `Pose`. Defaults to the standard `ScoreFunction`.
References basic::options::OptionKeys::relax::range.range, pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking(), pyrosetta.standard_packer_task(), and pyrosetta.Vector1().
Referenced by pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking().
def pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking | ( | pose, | |
res, | |||
task, | |||
pack_radius | |||
) |
Configure a `PackerTask` to only repack neighboring residues and return the task. Args: pose (pyrosetta.Pose): The `Pose` to opertate on. res (int): Pose-numbered residue position to exclude. task (pyrosetta.rosetta.core.pack.task.PackerTask): `PackerTask` to modify. pack_radius (float): Radius used to define neighboring residues. Returns: pyrosetta.rosetta.core.pack.task.PackerTask: Configured `PackerTask`.
References ObjexxFCL.len(), pyrosetta.toolbox.mutants.mutate_residue(), basic::options::OptionKeys::packing.prevent_repacking, basic::options::OptionKeys::relax::range.range, and basic::options::OptionKeys::in::file.xyz.
Referenced by pyrosetta.toolbox.mutants.mutate_residue().